IBS-ZINC05176079 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 51 0 0 1 0 0 0 0 0999 V2000 -0.5000 0.8980 0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1290 0.7630 2.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7220 2.9800 1.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5520 3.5870 2.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5420 5.1210 2.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3740 5.6370 3.5860 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6220 6.9760 3.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0810 7.8980 2.9580 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3830 9.1930 3.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2100 9.5690 4.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7270 8.5690 5.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4340 7.2750 4.7870 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5700 8.8310 6.1020 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2590 7.7770 6.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3300 8.3930 7.7420 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.0370 8.9760 7.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0590 7.3510 8.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2460 7.3130 9.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8360 8.7610 9.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6910 9.2900 8.6750 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5190 10.9710 4.4740 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.4340 11.7590 3.5190 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8460 11.3090 5.6220 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.8020 10.0870 2.3100 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6820 -0.1790 0.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5550 1.1160 -0.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1370 1.3640 -0.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9350 0.9890 2.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3120 -0.3110 2.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5180 1.1110 3.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0830 3.3530 0.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3450 3.2070 1.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5880 3.2300 2.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1700 3.2600 3.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5150 5.4870 2.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9190 5.4570 1.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8290 5.0420 4.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6690 9.7900 6.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7440 7.0840 6.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5240 7.2200 7.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0700 7.7100 8.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1540 6.3770 8.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7980 6.9340 10.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3600 6.6840 9.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6130 9.3410 10.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8970 8.8770 10.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1560 9.7330 1.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0440 11.0740 2.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8760 1.4670 1.4220 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.8760 1.2610 1.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 49 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 2 49 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 3 49 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 24 1 0 0 0 0 10 11 2 0 0 0 0 10 21 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 20 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 49 50 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M CHG 1 49 1 M END